SCHEMBL2227079

SCHEMBL2227079

ClC1(c2ccccc2)NCCc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.39
MEN1 O00255 4/20 0.38
HDAC9 Q9UKV0 1/20 0.37
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
SIGMAR1 Q99720 4/20 0.36
TP53 P04637 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.36
DRD2 P14416 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
HTR2B P41595 1/20 0.36
MTOR P42345 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2793544 0.79 HTR2A (0.41) HTR2AHTR2CMEN1HDAC9TSHR
SCHEMBL11488652 0.79 HTR2A (0.43) HTR2AHTR2CMEN1TSHRDRD2
SCHEMBL28831342 0.78 KDM1A (0.41) HTR2AHTR2CMEN1HDAC9PNMT
SCHEMBL28826900 0.76 HTR2A (0.39) HTR2AHTR2CMEN1HDAC9PNMT
SCHEMBL27928027 0.76 HTR2A (0.39) HTR2AHTR2CMEN1HDAC9PNMT
SCHEMBL9374419 0.76 CYP3A4 (0.42) HTR2AMEN1HDAC9KMT2ACYP3A4
SCHEMBL27928025 0.76 HTR2A (0.39) HTR2AHTR2CMEN1HDAC9PNMT
Hydrochloric Acid SCHEMBL6021932 0.75 CYP3A4 (0.41) HTR2AMEN1HDAC9KMT2ACYP3A4
SCHEMBL30821544 0.74 HTR2A (0.37) HTR2AHTR2CMEN1HDAC9PNMT
SCHEMBL28008899 0.74 ALDH1A1 (0.39) HTR2AHTR2CMEN1HDAC9KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011086003-A1 PROCESS FOR THE PREPARATION OF SOLIFENACIN AND SOLIFENACIN SUCCINATE ZAKLADY FARMACEUTYCZNE POLPHARMA SA (PL) 2011-07-21 WO disclosed